2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine

C15H23NO2S — CID 25256103

IUPAC2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine
SMILESNCCS(=O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C15H23NO2S/c16-9-10-19(17)15-8-4-7-14(11-15)18-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,16H2
InChIKeyZZDIYBFYEXLULH-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.71
Rot. Bonds6

About 2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine

2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine (PubChem CID 25256103) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine.

Molecular Properties

Compound Name2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine
PubChem CID25256103
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine
SMILESNCCS(=O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C15H23NO2S/c16-9-10-19(17)15-8-4-7-14(11-15)18-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,16H2
InChIKeyZZDIYBFYEXLULH-UHFFFAOYSA-N
XLogP2.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine?
The IUPAC name of 2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine (CID 25256103) is 2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine.
What is the SMILES notation for 2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine?
The canonical SMILES for 2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine is NCCS(=O)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine?
The InChIKey is ZZDIYBFYEXLULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c16-9-10-19(17)15-8-4-7-14(11-15)18-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,16H2.
What are the key properties of 2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine?
2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine has a molecular weight of 281.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethoxy)phenyl]sulfinylethanamine is sourced from PubChem (CID 25256103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).